SCHEMBL336014

SCHEMBL336014

CCCc1ccc(C(=O)NC(c2ccccc2)C(O)C(=O)Nc2ccc3nc(N)[nH]c3c2)cc1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 1/20 0.41
FABP6 P51161 1/20 0.41
TRPV1 Q8NER1 1/20 0.40
F7 P08709 3/20 0.40
F9 P00740 2/20 0.40
DHFR P00374 1/20 0.40
TYMS P04818 3/20 0.39
ACP1 P24666 1/20 0.39
MAPT P10636 2/20 0.38
MAPK1 P28482 1/20 0.38
F3 P13726 1/20 0.38
F11 P03951 1/20 0.38
MCHR1 Q99705 1/20 0.38
APLNR P35414 1/20 0.38
GRIN1 Q05586 1/20 0.37
GRIN2B Q13224 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL335909 0.95 HDAC3 (0.43) ABL1FABP6TRPV1F7F9
SCHEMBL335501 0.93 NPC1 (0.43) ABL1FABP6F7F9DHFR
SCHEMBL335576 0.91 ABL1 (0.43) ABL1FABP6F7F9DHFR
SCHEMBL336039 0.90 DHFR (0.41) ABL1FABP6F7F9DHFR
SCHEMBL336367 0.89 MAPT (0.47) ABL1FABP6F7F9DHFR
SCHEMBL335878 0.88 ABL1 (0.43) ABL1FABP6F7F9TYMS
SCHEMBL335948 0.88 ABL1 (0.45) ABL1FABP6F7F9ACP1
SCHEMBL335373 0.88 TYMS (0.43) ABL1FABP6F7F9DHFR
SCHEMBL335396 0.88 F7 (0.44) F7F9DHFRMAPTF3
SCHEMBL335484 0.88 MAPT (0.43) ABL1FABP6F7F9TYMS

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2069289-B1 ISOSERINE DERIVATIVES FOR USE AS COAGULATION FACTOR IXa INHIBITORS SANOFI SA (FR) 2013-10-02 EP claimed
US-8097758-B2 Isoserine derivatives for use as coagulation factor IXa inhibitors SANOFI-AVENTIS (FR) 2012-01-17 US claimed
US-20090233949-A1 ISOSERINE DERIVATIVES FOR USE AS COAGULATION FACTOR IXA INHIBITORS SANOFI-AVENTIS (FR) 2009-09-17 US claimed
EP-2069289-A1 ISOSERINE DERIVATIVES FOR USE AS COAGULATION FACTOR IXa INHIBITORS Sanofi-Aventis (FR) 2009-06-17 EP claimed
WO-2008031509-A1 ISOSERINE DERIVATIVES FOR USE AS COAGULATION FACTOR IXa INHIBITORS SANOFI-AVENTIS (FR) 2008-03-20 WO claimed
EP-2069289-B1 ISOSERINE DERIVATIVES FOR USE AS COAGULATION FACTOR IXa INHIBITORS SANOFI SA (FR) 2013-10-02 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090233949-A1 ISOSERINE DERIVATIVES FOR USE AS COAGULATION FACTOR IXA INHIBITORS TFPI, F2, F9 ABL1 2660/4885FABP6 3044/4885TRPV1 4579/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.